ChemSpider 2D Image | Phenyl 4-C-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]-beta-D-glucopyranosiduronic acid | C32H37NO8

Phenyl 4-C-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID2301285

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Acide 4-C-[(1Z)-1-{4-[2-(diméthylamino)éthoxy]phényl}-2-phényl-1-butén-1-yl]-β-D-glucopyranosiduronique de phényle [French] [ACD/IUPAC Name]
Phenyl 4-C-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Phenyl-4-C-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, phenyl 4-C-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]- [ACD/Index Name]
(Z)-4-HYDROXY TAMOXIFEN O-β-D-GLUCURONIDE
128255-45-8 [RN]
4-Htbg
4-Hydroxytamoxifen β-glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 20.56
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 19.51
Polar Surface Area: 129 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

Click to predict properties on the Chemicalize site


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